3,3-dimethyl-N-[(2R)-1-oxo-1-[2-(pyrrolidine-1-carbonyl)anilino]propan-2-yl]butanamide

C20H29N3O3 — CID 99824360

IUPAC3,3-dimethyl-N-[(2R)-1-oxo-1-[2-(pyrrolidine-1-carbonyl)anilino]propan-2-yl]butanamide
SMILESC[C@@H](NC(=O)CC(C)(C)C)C(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C20H29N3O3/c1-14(21-17(24)13-20(2,3)4)18(25)22-16-10-6-5-9-15(16)19(26)23-11-7-8-12-23/h5-6,9-10,14H,7-8,11-13H2,1-4H3,(H,21,24)(H,22,25)/t14-/m1/s1
InChIKeyNCURAZWGWLKUPM-CQSZACIVSA-N
MW359.47 g/mol
LogP2.80
Rot. Bonds5

About 3,3-dimethyl-N-[(2R)-1-oxo-1-[2-(pyrrolidine-1-carbonyl)anilino]propan-2-yl]butanamide

3,3-dimethyl-N-[(2R)-1-oxo-1-[2-(pyrrolidine-1-carbonyl)anilino]propan-2-yl]butanamide (PubChem CID 99824360) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(2R)-1-oxo-1-[2-(pyrrolidine-1-carbonyl)anilino]propan-2-yl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[(2R)-1-oxo-1-[2-(pyrrolidine-1-carbonyl)anilino]propan-2-yl]butanamide
PubChem CID99824360
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name3,3-dimethyl-N-[(2R)-1-oxo-1-[2-(pyrrolidine-1-carbonyl)anilino]propan-2-yl]butanamide
SMILESC[C@@H](NC(=O)CC(C)(C)C)C(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C20H29N3O3/c1-14(21-17(24)13-20(2,3)4)18(25)22-16-10-6-5-9-15(16)19(26)23-11-7-8-12-23/h5-6,9-10,14H,7-8,11-13H2,1-4H3,(H,21,24)(H,22,25)/t14-/m1/s1
InChIKeyNCURAZWGWLKUPM-CQSZACIVSA-N
XLogP2.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 78773400
2,2-diphenyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1272938
2,2-diphenyl-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 1341137
N-[2-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 30336776
1-propyl-3-[2-(pyrrolidine-1-carbonyl)phenyl]urea
CID 47201043
methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 551078
4-methyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]pentanoic acid
CID 122074814
(2R)-2-(4-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 40796627
2-(2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 4958532
2-amino-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119268834
N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
CID 17080136
(2S)-2-(2-chlorophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 40796739

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(2R)-1-oxo-1-[2-(pyrrolidine-1-carbonyl)anilino]propan-2-yl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[(2R)-1-oxo-1-[2-(pyrrolidine-1-carbonyl)anilino]propan-2-yl]butanamide (CID 99824360) is 3,3-dimethyl-N-[(2R)-1-oxo-1-[2-(pyrrolidine-1-carbonyl)anilino]propan-2-yl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[(2R)-1-oxo-1-[2-(pyrrolidine-1-carbonyl)anilino]propan-2-yl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[(2R)-1-oxo-1-[2-(pyrrolidine-1-carbonyl)anilino]propan-2-yl]butanamide is C[C@@H](NC(=O)CC(C)(C)C)C(=O)Nc1ccccc1C(=O)N1CCCC1.
What is the InChIKey of 3,3-dimethyl-N-[(2R)-1-oxo-1-[2-(pyrrolidine-1-carbonyl)anilino]propan-2-yl]butanamide?
The InChIKey is NCURAZWGWLKUPM-CQSZACIVSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14(21-17(24)13-20(2,3)4)18(25)22-16-10-6-5-9-15(16)19(26)23-11-7-8-12-23/h5-6,9-10,14H,7-8,11-13H2,1-4H3,(H,21,24)(H,22,25)/t14-/m1/s1.
What are the key properties of 3,3-dimethyl-N-[(2R)-1-oxo-1-[2-(pyrrolidine-1-carbonyl)anilino]propan-2-yl]butanamide?
3,3-dimethyl-N-[(2R)-1-oxo-1-[2-(pyrrolidine-1-carbonyl)anilino]propan-2-yl]butanamide has a molecular weight of 359.47 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(2R)-1-oxo-1-[2-(pyrrolidine-1-carbonyl)anilino]propan-2-yl]butanamide is sourced from PubChem (CID 99824360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).